CHEBI:41837 - (4S,5S)-1,2-dithiane-4,5-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4S,5S)-1,2-dithiane-4,5-diol
ChEBI ID CHEBI:41837
ChEBI ASCII Name (4S,5S)-1,2-dithiane-4,5-diol
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:41830, CHEBI:32883
Supplier Information ChemicalBook:CB3286555, eMolecules:536963, ZINC000000895503
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Formula C4H8O2S2
Net Charge 0
Average Mass 152.237
Monoisotopic Mass 151.99657
InChI InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1
InChIKey YPGMOWHXEQDBBV-QWWZWVQMSA-N
SMILES S1SC[C@H]([C@@H](C1)O)O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via trans-1,2-dithiane-4,5-diol )
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ChEBI Ontology
Outgoing (4S,5S)-1,2-dithiane-4,5-diol (CHEBI:41837) is a trans-1,2-dithiane-4,5-diol (CHEBI:16912)
(4S,5S)-1,2-dithiane-4,5-diol (CHEBI:41837) is enantiomer of (4R,5R)-1,2-dithiane-4,5-diol (CHEBI:42147)
Incoming (4R,5R)-1,2-dithiane-4,5-diol (CHEBI:42147) is enantiomer of (4S,5S)-1,2-dithiane-4,5-diol (CHEBI:41837)
IUPAC Name
(4S,5S)-1,2-dithiane-4,5-diol
Synonym Source
oxidized dithiothreitol UniProt
Manual Xrefs Databases
D1D PDBeChem
DB02693 DrugBank
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Registry Number Type Source
1280351 Beilstein Registry Number Beilstein
Last Modified
09 December 2016